REAL300019889568.mol2 44                                                        
   1       O    -0.53   -10.28    14.84      -8.76      -0.13   -10.41     16
   2       C     0.52     7.81     7.58     -10.99      -0.08     7.73     16
   3       C    -0.16    -1.66     3.74     -27.88      -0.10    -1.76     16
   4       C     0.13     1.51     3.11     -27.98      -0.09     1.42     16
   5       O    -0.37    -6.36    13.94     -63.49      -0.89    -7.24     16
   6       O    -0.58    -9.75    18.54     -56.57      -1.05   -10.80     16
   7       C     0.24     2.21    10.28     -38.81      -0.40     1.81     16
   8       C    -0.12    -0.65    10.09     -39.33      -0.40    -1.04     16
   9       C    -0.08    -0.17    10.04     -39.59      -0.40    -0.57     16
  10       C    -0.11    -0.18    10.04     -39.48      -0.40    -0.57     16
  11       C    -0.09    -0.32    10.04     -39.63      -0.40    -0.72     16
  12       C    -0.08    -0.58     5.56    -104.35      -0.58    -1.16     16
  13       N    -0.61    -8.65     2.97    -172.53      -0.51    -9.16     16
  14       C     0.11     1.19     6.34      -3.71      -0.02     1.17     16
  15       C    -0.14    -1.84     6.08     -26.61      -0.16    -2.00     16
  16       C    -0.11    -1.93     5.00     -26.69      -0.13    -2.07     16
  17       C    -0.09    -1.68     2.34     -90.29      -0.21    -1.89     16
  18       C     0.00     0.09     5.32     -27.88      -0.15    -0.05     16
  19       C     0.06     1.70     6.82    -156.72      -1.07     0.63     16
  20       N    -0.39   -12.31    12.43      32.44       0.40   -11.90     16
  21       N    -0.20    -6.64    13.47      60.35       0.81    -5.82     16
  22       N    -0.20    -6.58    13.47      60.35       0.81    -5.76     16
  23       N    -0.39   -11.78    11.71      32.44       0.38   -11.40     16
  24       C     0.12     1.88     5.74      -3.51      -0.02     1.86     16
  25       H     0.10     1.04     7.69     -51.93      -0.40     0.64     16
  26       H     0.10     0.62     7.94     -51.93      -0.41     0.20     16
  27       H     0.10     1.18     7.95     -51.93      -0.41     0.77     16
  28       H     0.35     5.25     9.30      45.56       0.42     5.67     16
  29       H     0.16     0.69     8.06     -52.48      -0.42     0.27     16
  30       H     0.16    -0.15     8.06     -52.49      -0.42    -0.57     16
  31       H     0.15    -0.18     8.06     -52.49      -0.42    -0.60     16
  32       H     0.16     0.15     8.06     -52.48      -0.42    -0.28     16
  33       H     0.08     0.64     5.93     -51.93      -0.31     0.33     16
  34       H     0.07     0.65     8.14     -51.93      -0.42     0.22     16
  35       H     0.06     0.97     8.14     -51.93      -0.42     0.55     16
  36       H     0.07     0.84     8.14     -51.92      -0.42     0.42     16
  37       H     0.08     1.74     6.78     -51.93      -0.35     1.38     16
  38       H     0.06     0.99     8.14     -51.93      -0.42     0.57     16
  39       H     0.07     1.60     8.14     -51.93      -0.42     1.18     16
  40       H     0.07     1.33     8.14     -51.93      -0.42     0.91     16
  41       H     0.07     1.43     8.14     -51.93      -0.42     1.00     16
  42       H     0.07     0.93     8.14     -51.93      -0.42     0.51     16
  43       H     0.09     1.61     7.00     -51.93      -0.36     1.25     16
 Total:         -1.00   -43.63   359.46                 -6.26   -49.88